5-[4-[[3-[4-[(2R)-2,3-dihydroxypropoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;methane

C289H313N17O52S — CID 162173675

IUPAC5-[4-[[3-[4-[(2R)-2,3-dihydroxypropoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;methane
SMILESC.Cc1c(COc2ccc(-c3cc(=O)[nH]o3)cc2)cccc1-c1cnc(OCCC(C)(C)O)c(C)c1C.Cc1cc(-c2cccc(COc3ccc(-c4cc(=O)[nH]o4)cc3)c2C)c(C)nc1OCCC(C)(C)O.Cc1cc(OCCC(C)(C)O)cc(C)c1-c1cccc(COc2ccc(-c3cc(=O)[nH]o3)cc2)c1C.Cc1cc(OCCC(C)(C)O)nc(C)c1-c1cccc(COc2ccc(-c3cc(=O)[nH]o3)cc2)c1.Cc1cc(OCCC(C)(C)O)nc(C)c1-c1cccc(COc2ccc(-c3cc(=O)[nH]o3)cc2)c1C.Cc1cc(OCCC(C)(C)O)ncc1-c1cccc(COc2ccc(-c3cc(=O)[nH]o3)cc2)c1C.Cc1cc(OCCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc(-c3cc(=O)[nH]o3)cc2)c1.Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(-c3cc(=O)[nH]o3)cc2)c1.Cc1cc(OC[C@H](O)CO)cc(C)c1-c1cccc(COc2ccc(-c3cc(=O)[nH]o3)cc2)c1C.Cc1nc(OCCC(C)(C)O)ccc1-c1cccc(COc2ccc(-c3cc(=O)[nH]o3)cc2)c1C
InChIInChI=1S/C31H32N2O5.C30H33NO5.3C29H32N2O5.3C28H30N2O5.C28H29NO6S.C28H29NO6.CH4/c1-21-16-27(36-15-5-14-33-13-4-8-30(33)35)17-22(2)31(21)25-7-3-6-23(18-25)20-37-26-11-9-24(10-12-26)28-19-29(34)32-38-28;1-19-15-25(34-14-13-30(4,5)33)16-20(2)29(19)26-8-6-7-23(21(26)3)18-35-24-11-9-22(10-12-24)27-17-28(32)31-36-27;1-18-19(2)28(34-14-13-29(4,5)33)30-16-25(18)24-8-6-7-22(20(24)3)17-35-23-11-9-21(10-12-23)26-15-27(32)31-36-26;1-18-15-27(34-14-13-29(4,5)33)30-20(3)28(18)24-8-6-7-22(19(24)2)17-35-23-11-9-21(10-12-23)25-16-26(32)31-36-25;1-18-15-25(20(3)30-28(18)34-14-13-29(4,5)33)24-8-6-7-22(19(24)2)17-35-23-11-9-21(10-12-23)26-16-27(32)31-36-26;1-18-14-27(33-13-12-28(3,4)32)29-16-24(18)23-7-5-6-21(19(23)2)17-34-22-10-8-20(9-11-22)25-15-26(31)30-35-25;1-18-14-26(33-13-12-28(3,4)32)29-19(2)27(18)22-7-5-6-20(15-22)17-34-23-10-8-21(9-11-23)24-16-25(31)30-35-24;1-18-21(17-34-22-10-8-20(9-11-22)25-16-26(31)30-35-25)6-5-7-23(18)24-12-13-27(29-19(24)2)33-15-14-28(3,4)32;1-19-14-25(33-12-5-13-36(3,31)32)15-20(2)28(19)23-7-4-6-21(16-23)18-34-24-10-8-22(9-11-24)26-17-27(30)29-35-26;1-17-11-24(34-16-22(31)14-30)12-18(2)28(17)25-6-4-5-21(19(25)3)15-33-23-9-7-20(8-10-23)26-13-27(32)29-35-26;/h3,6-7,9-12,16-19H,4-5,8,13-15,20H2,1-2H3,(H,32,34);6-12,15-17,33H,13-14,18H2,1-5H3,(H,31,32);3*6-12,15-16,33H,13-14,17H2,1-5H3,(H,31,32);2*5-11,14-16,32H,12-13,17H2,1-4H3,(H,30,31);5-13,16,32H,14-15,17H2,1-4H3,(H,30,31);4,6-11,14-17H,5,12-13,18H2,1-3H3,(H,29,30);4-13,22,30-31H,14-16H2,1-3H3,(H,29,32);1H4/t;;;;;;;;;22-;/m.........1./s1
InChIKeyZOCOVJOAGOONPX-BNQWAJNPSA-N
MW4888.82 g/mol
LogP56.24
Rot. Bonds92

About 5-[4-[[3-[4-[(2R)-2,3-dihydroxypropoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;methane

5-[4-[[3-[4-[(2R)-2,3-dihydroxypropoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;methane (PubChem CID 162173675) has the molecular formula C289H313N17O52S and a molecular weight of 4888.82 g/mol. Its IUPAC name is 5-[4-[[3-[4-[(2R)-2,3-dihydroxypropoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;methane.

Molecular Properties

Compound Name5-[4-[[3-[4-[(2R)-2,3-dihydroxypropoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;methane
PubChem CID162173675
Molecular FormulaC289H313N17O52S
Molecular Weight4888.82 g/mol
Exact Mass4885.21
IUPAC Name5-[4-[[3-[4-[(2R)-2,3-dihydroxypropoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;methane
SMILESC.Cc1c(COc2ccc(-c3cc(=O)[nH]o3)cc2)cccc1-c1cnc(OCCC(C)(C)O)c(C)c1C.Cc1cc(-c2cccc(COc3ccc(-c4cc(=O)[nH]o4)cc3)c2C)c(C)nc1OCCC(C)(C)O.Cc1cc(OCCC(C)(C)O)cc(C)c1-c1cccc(COc2ccc(-c3cc(=O)[nH]o3)cc2)c1C.Cc1cc(OCCC(C)(C)O)nc(C)c1-c1cccc(COc2ccc(-c3cc(=O)[nH]o3)cc2)c1.Cc1cc(OCCC(C)(C)O)nc(C)c1-c1cccc(COc2ccc(-c3cc(=O)[nH]o3)cc2)c1C.Cc1cc(OCCC(C)(C)O)ncc1-c1cccc(COc2ccc(-c3cc(=O)[nH]o3)cc2)c1C.Cc1cc(OCCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc(-c3cc(=O)[nH]o3)cc2)c1.Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(-c3cc(=O)[nH]o3)cc2)c1.Cc1cc(OC[C@H](O)CO)cc(C)c1-c1cccc(COc2ccc(-c3cc(=O)[nH]o3)cc2)c1C.Cc1nc(OCCC(C)(C)O)ccc1-c1cccc(COc2ccc(-c3cc(=O)[nH]o3)cc2)c1C
InChIInChI=1S/C31H32N2O5.C30H33NO5.3C29H32N2O5.3C28H30N2O5.C28H29NO6S.C28H29NO6.CH4/c1-21-16-27(36-15-5-14-33-13-4-8-30(33)35)17-22(2)31(21)25-7-3-6-23(18-25)20-37-26-11-9-24(10-12-26)28-19-29(34)32-38-28;1-19-15-25(34-14-13-30(4,5)33)16-20(2)29(19)26-8-6-7-23(21(26)3)18-35-24-11-9-22(10-12-24)27-17-28(32)31-36-27;1-18-19(2)28(34-14-13-29(4,5)33)30-16-25(18)24-8-6-7-22(20(24)3)17-35-23-11-9-21(10-12-23)26-15-27(32)31-36-26;1-18-15-27(34-14-13-29(4,5)33)30-20(3)28(18)24-8-6-7-22(19(24)2)17-35-23-11-9-21(10-12-23)25-16-26(32)31-36-25;1-18-15-25(20(3)30-28(18)34-14-13-29(4,5)33)24-8-6-7-22(19(24)2)17-35-23-11-9-21(10-12-23)26-16-27(32)31-36-26;1-18-14-27(33-13-12-28(3,4)32)29-16-24(18)23-7-5-6-21(19(23)2)17-34-22-10-8-20(9-11-22)25-15-26(31)30-35-25;1-18-14-26(33-13-12-28(3,4)32)29-19(2)27(18)22-7-5-6-20(15-22)17-34-23-10-8-21(9-11-23)24-16-25(31)30-35-24;1-18-21(17-34-22-10-8-20(9-11-22)25-16-26(31)30-35-25)6-5-7-23(18)24-12-13-27(29-19(24)2)33-15-14-28(3,4)32;1-19-14-25(33-12-5-13-36(3,31)32)15-20(2)28(19)23-7-4-6-21(16-23)18-34-24-10-8-22(9-11-24)26-17-27(30)29-35-26;1-17-11-24(34-16-22(31)14-30)12-18(2)28(17)25-6-4-5-21(19(25)3)15-33-23-9-7-20(8-10-23)26-13-27(32)29-35-26;/h3,6-7,9-12,16-19H,4-5,8,13-15,20H2,1-2H3,(H,32,34);6-12,15-17,33H,13-14,18H2,1-5H3,(H,31,32);3*6-12,15-16,33H,13-14,17H2,1-5H3,(H,31,32);2*5-11,14-16,32H,12-13,17H2,1-4H3,(H,30,31);5-13,16,32H,14-15,17H2,1-4H3,(H,30,31);4,6-11,14-17H,5,12-13,18H2,1-3H3,(H,29,30);4-13,22,30-31H,14-16H2,1-3H3,(H,29,32);1H4/t;;;;;;;;;22-;/m.........1./s1
InChIKeyZOCOVJOAGOONPX-BNQWAJNPSA-N
XLogP56.24
TPSA958.46 Ų
H-Bond Donors19
H-Bond Acceptors58
Rotatable Bonds92
Heavy Atoms359
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004888.82
LogP ≤ 556.24
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1058

Analyze 5-[4-[[3-[4-[(2R)-2,3-dihydroxypropoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[3-[4-[(2R)-2,3-dihydroxypropoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;methane?
The IUPAC name of 5-[4-[[3-[4-[(2R)-2,3-dihydroxypropoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;methane (CID 162173675) is 5-[4-[[3-[4-[(2R)-2,3-dihydroxypropoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;methane.
What is the SMILES notation for 5-[4-[[3-[4-[(2R)-2,3-dihydroxypropoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;methane?
The canonical SMILES for 5-[4-[[3-[4-[(2R)-2,3-dihydroxypropoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;methane is C.Cc1c(COc2ccc(-c3cc(=O)[nH]o3)cc2)cccc1-c1cnc(OCCC(C)(C)O)c(C)c1C.Cc1cc(-c2cccc(COc3ccc(-c4cc(=O)[nH]o4)cc3)c2C)c(C)nc1OCCC(C)(C)O.Cc1cc(OCCC(C)(C)O)cc(C)c1-c1cccc(COc2ccc(-c3cc(=O)[nH]o3)cc2)c1C.Cc1cc(OCCC(C)(C)O)nc(C)c1-c1cccc(COc2ccc(-c3cc(=O)[nH]o3)cc2)c1.Cc1cc(OCCC(C)(C)O)nc(C)c1-c1cccc(COc2ccc(-c3cc(=O)[nH]o3)cc2)c1C.Cc1cc(OCCC(C)(C)O)ncc1-c1cccc(COc2ccc(-c3cc(=O)[nH]o3)cc2)c1C.Cc1cc(OCCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc(-c3cc(=O)[nH]o3)cc2)c1.Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(-c3cc(=O)[nH]o3)cc2)c1.Cc1cc(OC[C@H](O)CO)cc(C)c1-c1cccc(COc2ccc(-c3cc(=O)[nH]o3)cc2)c1C.Cc1nc(OCCC(C)(C)O)ccc1-c1cccc(COc2ccc(-c3cc(=O)[nH]o3)cc2)c1C.
What is the InChIKey of 5-[4-[[3-[4-[(2R)-2,3-dihydroxypropoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;methane?
The InChIKey is ZOCOVJOAGOONPX-BNQWAJNPSA-N. The full InChI is InChI=1S/C31H32N2O5.C30H33NO5.3C29H32N2O5.3C28H30N2O5.C28H29NO6S.C28H29NO6.CH4/c1-21-16-27(36-15-5-14-33-13-4-8-30(33)35)17-22(2)31(21)25-7-3-6-23(18-25)20-37-26-11-9-24(10-12-26)28-19-29(34)32-38-28;1-19-15-25(34-14-13-30(4,5)33)16-20(2)29(19)26-8-6-7-23(21(26)3)18-35-24-11-9-22(10-12-24)27-17-28(32)31-36-27;1-18-19(2)28(34-14-13-29(4,5)33)30-16-25(18)24-8-6-7-22(20(24)3)17-35-23-11-9-21(10-12-23)26-15-27(32)31-36-26;1-18-15-27(34-14-13-29(4,5)33)30-20(3)28(18)24-8-6-7-22(19(24)2)17-35-23-11-9-21(10-12-23)25-16-26(32)31-36-25;1-18-15-25(20(3)30-28(18)34-14-13-29(4,5)33)24-8-6-7-22(19(24)2)17-35-23-11-9-21(10-12-23)26-16-27(32)31-36-26;1-18-14-27(33-13-12-28(3,4)32)29-16-24(18)23-7-5-6-21(19(23)2)17-34-22-10-8-20(9-11-22)25-15-26(31)30-35-25;1-18-14-26(33-13-12-28(3,4)32)29-19(2)27(18)22-7-5-6-20(15-22)17-34-23-10-8-21(9-11-23)24-16-25(31)30-35-24;1-18-21(17-34-22-10-8-20(9-11-22)25-16-26(31)30-35-25)6-5-7-23(18)24-12-13-27(29-19(24)2)33-15-14-28(3,4)32;1-19-14-25(33-12-5-13-36(3,31)32)15-20(2)28(19)23-7-4-6-21(16-23)18-34-24-10-8-22(9-11-24)26-17-27(30)29-35-26;1-17-11-24(34-16-22(31)14-30)12-18(2)28(17)25-6-4-5-21(19(25)3)15-33-23-9-7-20(8-10-23)26-13-27(32)29-35-26;/h3,6-7,9-12,16-19H,4-5,8,13-15,20H2,1-2H3,(H,32,34);6-12,15-17,33H,13-14,18H2,1-5H3,(H,31,32);3*6-12,15-16,33H,13-14,17H2,1-5H3,(H,31,32);2*5-11,14-16,32H,12-13,17H2,1-4H3,(H,30,31);5-13,16,32H,14-15,17H2,1-4H3,(H,30,31);4,6-11,14-17H,5,12-13,18H2,1-3H3,(H,29,30);4-13,22,30-31H,14-16H2,1-3H3,(H,29,32);1H4/t;;;;;;;;;22-;/m.........1./s1.
What are the key properties of 5-[4-[[3-[4-[(2R)-2,3-dihydroxypropoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;methane?
5-[4-[[3-[4-[(2R)-2,3-dihydroxypropoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;methane has a molecular weight of 4888.82 g/mol, XLogP of 56.24, 92 rotatable bonds, 19 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[3-[4-[(2R)-2,3-dihydroxypropoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[2,6-dimethyl-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4,5-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-4-methyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1,2-oxazol-3-one;methane is sourced from PubChem (CID 162173675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).